SCHEMBL8076734

SCHEMBL8076734

O=C(CSc1ccnc2ccccc12)c1ccc(NCc2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.47
MAPT P10636 4/20 0.44
TP53 P04637 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
NSD2 O96028 1/20 0.43
SLC6A7 Q99884 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
HIF1A Q16665 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ALDH1A1 P00352 3/20 0.42
HPGD P15428 2/20 0.42
MAOB P27338 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
HDAC3 O15379 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8089897 0.83 HDAC6 (0.50) HDAC6MAPTNSD2CYP1A2HSD17B10
SCHEMBL8076787 0.83 KDR (0.40) HDAC6MAPTTP53ALDH1A1HPGD
SCHEMBL8084792 0.81 NPSR1 (0.44) HDAC6MAPTTP53CYP1A2ALDH1A1
SCHEMBL8090035 0.81 SMN1; SMN2 (0.54) MAPTCYP1A2CYP3A4CYP2C19HIF1A
SCHEMBL8088268 0.81 HSD17B10 (0.50) MAPTCYP1A2CYP3A4CYP2C19HIF1A
SCHEMBL8084757 0.79 ALDH1A1 (0.49) MAPTCYP1A2CYP3A4CYP2C19HIF1A
SCHEMBL8088227 0.79 DNMT1 (0.44) HDAC6MAPTTP53HSD17B10ALDH1A1
SCHEMBL8084739 0.77 ALDH1A1 (0.60) MAPTCYP1A2CYP3A4CYP2C19HIF1A
SCHEMBL8084741 0.77 ALDH1A1 (0.50) MAPTCYP1A2CYP3A4CYP2C19HIF1A
SCHEMBL8084097 0.77 HTR2C (0.48) MAPTCYP1A2CYP3A4CYP2C19HIF1A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6057447-A BACTERICIDES FOR CAMPYLOBACTER ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 2000-05-02 US disclosed
EP-0926139-A1 QUINOLINE SULFIDE DERIVATIVES ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 1999-06-30 EP disclosed